Kashtiban, RJ, Burdanova, MG, Vasylenko, A et al. (7 more authors) (2021) Linear and Helical Cesium Iodide Atomic Chains in Ultranarrow Single-Walled Carbon Nanotubes: Impact on Optical Properties. ACS Nano, 15 (8). acsnano.1c03705. pp. 13389-13398. ISSN 1936-0851
Abstract
One-dimensional (1D) atomic chains of CsI were previously reported in double-walled carbon nanotubes with ∼0.8 nm inner diameter. Here, we demonstrate that, while 1D CsI chains form within narrow ∼0.73 nm diameter single-walled carbon nanotubes (SWCNTs), wider SWCNT tubules (∼0.8–1.1 nm) promote the formation of helical chains of CsI 2 × 1 atoms in cross-section. These CsI helices create complementary oval distortions in encapsulating SWCNTs with highly strained helices formed from strained Cs2I2 parallelogram units in narrow tubes to lower strain Cs2I2 units in wider tubes. The observed structural changes and charge distribution were analyzed by density-functional theory and Bader analysis. CsI chains also produce conformation-selective changes to the electronic structure and optical properties of the encapsulating tubules. The observed defects are an interesting variation from defects commonly observed in alkali halides as these are normally associated with the Schottky and Frenkel type. The energetics of CsI 2 × 1 helix formation in SWCNTs suggests how these could be controllably formed.
Metadata
Item Type: | Article |
---|---|
Authors/Creators: |
|
Copyright, Publisher and Additional Information: | © 2021 The Authors. Published by American Chemical Society. This is an open access article under the terms of the Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) |
Keywords: | atomic chains; carbon nanotubes; electron microscopy; density functional theory Raman spectroscopy; photoluminescence |
Dates: |
|
Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 10 Sep 2021 12:41 |
Last Modified: | 10 Sep 2021 12:41 |
Status: | Published |
Publisher: | American Chemical Society |
Identification Number: | 10.1021/acsnano.1c03705 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:177967 |